%chk=000049618.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049618

0 1
 O   0.7009000      0.1643000     -0.8899000    
 O  -0.1406000      -1.686500      0.1990000    
 N    4.783900     -1.1000000E-03  0.2143000    
 C   -1.644300      3.7500001E-02 -0.6478000    
 C   -1.726500       1.458300     -5.2000001E-02
 C   -3.037400       2.167400     -0.4146000    
 C    4.452300      0.1595000      -1.196200    
 C    3.011800      0.6366000      -1.350500    
 C   -2.768000     -0.8463000     -0.1377000    
 C   -3.081800       3.580500      0.1674000    
 C  -0.2958000     -0.6164000     -0.3747000    
 C    2.028400     -0.3443000     -0.7266000    
 C    6.145800     -0.5155000      0.3688000    
 C    4.637800       1.269800      0.9263000    
 C   -3.315700      -1.791000     -0.9846000    
 C   -3.213500     -0.6835000       1.160200    
 C   -4.366800       4.299200     -0.2120000    
 C    6.320400      -1.835500     -0.3630000    
 C    4.916000       1.102700       2.410500    
 C   -4.348000      -2.603500     -0.5160000    
 C   -4.245900      -1.496100       1.628800    
 C   -4.813100      -2.456100      0.7906000    
 H   -1.738500      0.1172000      -1.740100    
 H  -0.9029000       2.056800     -0.4651000    
 H   -1.553900       1.468900       1.030100    
 H   -3.128900       2.220700      -1.506600    
 H   -3.909700       1.616600     -4.9899999E-02
 H    4.518600     -0.7877000      -1.741400    
 H    5.127300      0.8692000      -1.691700    
 H    2.843100       1.656000     -0.9878000    
 H    2.786000      0.7053000      -2.423800    
 H   -2.225700       4.160900     -0.1959000    
 H   -3.003700       3.535200       1.259900    
 H    2.103600      -1.320200      -1.221200    
 H    2.216500     -0.4698000      0.3451000    
 H    6.359400     -0.7305000       1.420800    
 H    6.897600      0.2022000      1.6799999E-02
 H    3.610400       1.640800      0.8776000    
 H    5.289400       2.049300      0.5117000    
 H   -2.958700      -1.914900      -2.002700    
 H   -2.782800      2.5800001E-02   1.856700    
 H   -5.242900       3.762100      0.1653000    
 H   -4.377100       5.307300      0.2139000    
 H   -4.460000       4.388600      -1.299100    
 H    5.502300      -2.532000     -0.1492000    
 H    6.407800      -1.706400      -1.446200    
 H    7.249100      -2.315500     -3.3500001E-02
 H    4.376200      0.2474000       2.831200    
 H    5.983000      0.9926000       2.627100    
 H    4.580700       1.996300       2.949500    
 H   -4.789000      -3.351700      -1.168100    
 H   -4.603600      -1.386900       2.648500    
 H   -5.615600      -3.090000       1.156200    


%chk=000049618-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049618

0 1
O 0.769191 0.074446 -0.604964
O -0.045877 -0.411343 1.522022
N 5.110133 -0.032929 -0.127832
C -1.542259 0.614642 -0.170226
C -2.130348 1.616385 0.869657
C -3.391943 2.349046 0.366520
C 4.426850 -0.912285 -1.115497
C 2.990198 -0.441933 -1.444003
C -2.513114 -0.527792 -0.502239
C -3.936957 3.360908 1.400460
C -0.229082 0.041010 0.366349
C 2.097453 -0.489959 -0.205486
C 6.134631 -0.752960 0.677723
C 5.645673 1.207495 -0.755359
C -3.063235 -0.641897 -1.802961
C -2.891705 -1.472315 0.487325
C -5.201992 4.097335 0.909320
C 5.523447 -1.674677 1.750426
C 5.796584 2.373424 0.240582
C -3.980471 -1.672765 -2.111726
C -3.805550 -2.503887 0.179477
C -4.355983 -2.607303 -1.119981
H -1.307836 1.156728 -1.103965
H -1.349509 2.362190 1.122604
H -2.353675 1.068055 1.804501
H -3.160096 2.882621 -0.579588
H -4.181430 1.610560 0.124266
H 4.376993 -1.933045 -0.692753
H 5.010499 -0.993463 -2.066298
H 3.002405 0.590710 -1.840112
H 2.567658 -1.087023 -2.238032
H -3.146227 4.100588 1.641641
H -4.161857 2.827114 2.346218
H 1.940963 -1.520314 0.164665
H 2.517192 0.117426 0.614349
H 6.754147 0.007864 1.186051
H 6.829452 -1.339417 0.022829
H 4.940665 1.516390 -1.549141
H 6.624706 1.012373 -1.263763
H -2.772241 0.079078 -2.576799
H -2.453702 -1.406370 1.490063
H -6.017105 3.381547 0.692060
H -5.573386 4.813352 1.665460
H -4.996614 4.662521 -0.019578
H 4.863182 -1.094142 2.418057
H 4.926078 -2.492831 1.308470
H 6.322216 -2.139297 2.358137
H 4.821912 2.606900 0.703309
H 6.509058 2.137489 1.051569
H 6.168767 3.277097 -0.277500
H -4.398333 -1.746072 -3.122340
H -4.086085 -3.229570 0.951511
H -5.065542 -3.408107 -1.357077


